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GridChem: An Application-Oriented Computational Grid

Monday, October 10, 2005

GridChem: An Application-Oriented Computational Grid
12:00 PM - 4:00 PM (CDT)
2000 NCSA Building via AG

The Computational Chemistry Grid (CCG) is a distributed infrastructure for open scientific research that provides a collection of grid-based resources to routinely run chemical physics applications. It aims to integrate the desktop environment into infrastructure for computational chemists and other researchers.

Grid technologies have been developed to address security, data transport and job submission from desktop environments; however, installation of heavyweight approaches are often challenging to set up, maintain and use. Another approach is to push the heavyweight grid technologies to a server and provide a lightweight client on the desktop. The client interacts with the server, which in turn communicates with a remote HPC system running the applications. This lightweight desktop model is implemented in the CCG as a three-tier system (client/gridserver/HPC-resource) with the end user seeing only a two-tiered system (client/HPC-systems).

This workshop will include a description and discussion of the components of the model: the CCG infrastructure, desktop client, middleware services and scientific applications. Some of the general topics include:

  • GridChem overview
  • Interface demonstration
  • User support
  • Back-end details

This event is being offered over the Access Grid by the five GridChem partners: Center for Computational Sciences / University of Kentucky ; Center for Computation and Technology / Louisiana State University; The National Center for Supercomputing Applications (NCSA) / University of Illinois Urbana-Champaign; Ohio Supercomputer Center (OSC); and Texas Advanced Computing Center (TACC) / University of Texas.